[SIESTA-L] parallel over orbitals

2007-10-23 Thread Mariusz Krawiec
Dear siesta users, When I'm runing siesta on Itanium2 cluster with mpich2 using Diag.ParallelOverK .true. everything goes fine. When I swhich it to .false. siesta pararelizes the calculations over orbitals but my calculations stop. Below is the message I got: -- InitMesh: MESH =

Re: [SIESTA-L] parallel over orbitals

2007-10-24 Thread Mariusz Krawiec
Dear Oleksandr, I have tried different values of BlockSize. However I solved the problem reinstalling blacs and scalapack. The problem was with 'shared memory mpich'. Scalapck was compiled with shared memory mpich. Later on I installed mpich without shared memory but I didn't install scalapack

Re: [SIESTA-L] parallel over orbitals

2007-10-24 Thread Oleksandr Voznyy
What is the system size and number of processors you use? Try to reduce the BlockSize value.